7FH

1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione

Created:	2014-04-29
Last modified:	2015-03-11

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1 entries where 7FH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of 7FH

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Chemical Component Summary
Name	1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione
Systematic Name (OpenEye OEToolkits)	1-oxidanyl-5-(trifluoromethyl)pyridine-2-thione
Formula	C₆ H₄ F₃ N O S
Molecular Weight	195.162
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S=C1C=CC(=CN1O)C(F)(F)F
SMILES	CACTVS	3.385	ON1C=C(C=CC1=S)C(F)(F)F
SMILES	OpenEye OEToolkits	1.7.6	C1=CC(=S)N(C=C1C(F)(F)F)O
Canonical SMILES	CACTVS	3.385	ON1C=C(C=CC1=S)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1=CC(=S)N(C=C1C(F)(F)F)O
InChI	InChI	1.03	InChI=1S/C6H4F3NOS/c7-6(8,9)4-1-2-5(12)10(11)3-4/h1-3,11H
InChIKey	InChI	1.03	CWWMSAVJLUCBNA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9964347
ChEMBL	CHEMBL3326436

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.